N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide

C13H23N3O2S — CID 62151680

IUPACN-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)N(C)CC(C)(C)C)ccn1
InChIInChI=1S/C13H23N3O2S/c1-6-14-12-9-11(7-8-15-12)19(17,18)16(5)10-13(2,3)4/h7-9H,6,10H2,1-5H3,(H,14,15)
InChIKeyNBCIBOZEADCILY-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.18
Rot. Bonds5

About N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide

N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide (PubChem CID 62151680) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide
PubChem CID62151680
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)N(C)CC(C)(C)C)ccn1
InChIInChI=1S/C13H23N3O2S/c1-6-14-12-9-11(7-8-15-12)19(17,18)16(5)10-13(2,3)4/h7-9H,6,10H2,1-5H3,(H,14,15)
InChIKeyNBCIBOZEADCILY-UHFFFAOYSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(ethylamino)pyridine-4-sulfonamide
CID 62150008
2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 62147964
N-(cyclohexylmethyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide
CID 62151719
2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide
CID 62157688
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-sulfonamide
CID 63275008
2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-sulfonamide
CID 55043729
N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-sulfonamide
CID 55044340
2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-sulfonamide
CID 65042331
2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 55043507
N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62146541
N-methyl-N-[(2-methylcyclopropyl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 63859240

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide (CID 62151680) is N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide is CCNc1cc(S(=O)(=O)N(C)CC(C)(C)C)ccn1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide?
The InChIKey is NBCIBOZEADCILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-6-14-12-9-11(7-8-15-12)19(17,18)16(5)10-13(2,3)4/h7-9H,6,10H2,1-5H3,(H,14,15).
What are the key properties of N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide?
N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 62151680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).